MgSiO3的分子动力学模拟

使用分子动力学模拟ＭｇＳｉＯ３以研究它的相变和超离子态．模拟采用Ｇｏｒｄｏｎ－Ｋｉｍ势和一种新的检测离子运动的技术．这项技术可以清楚地表现Ｏ２－离子的子晶格的熔解和八面体ＳｉＯ６的旋转．研究表明,ＭｇＳｉＯ３必须经历几番相变才能进入立方相．特别是在正交相和立方相之间存在一个过渡相．ＭｇＳｉＯ３确实存在超离子态相和立方相．这个超离子态相存在于熔点之前约２００～７００Ｋ．超离子态起始温度Ｔｃ和晶体熔点温度Ｔｍ的比率Ｔｃ／Ｔｍ～０．９２     

部分取代苯定量结构-生物降解相关性(QSBR)研究

采用Ｃｈｅｍｓ３Ｄ中量子化学ＭＯＰＡＣ－ＡＭ１法计算了７种间苯胺类和８地苯酚的分子量高占有轨道能ＥＨＯＭＯ、分子最低空轨道能ＥＬＵＭＯ。用ＱＳＡＲ程序软件包查得分子体积Ｖｍ。结合分子连接性指数（＾３Ｘ,＾３Ｘ＾ｖ）对生物降解二级速率常数对数ｌｇＫｂ进行定量结构－生物降解相关性（ＱＳＢＲ）分析,通过回归分析,得到如下两个回归方程：ｌｇＫｂ＝－０．８３２－０．１１８Ｖｍ＋１．７４８＾３Ｘ＾ｖ,ｎ＝１５,Ｒ＾２＝０．８３２,ＳＥ＝０．５７７,Ｆ＝２９．７,ｐ＝０．０００。（１）ｌｇＫｂ＝０．１２４Ｖｍ＋１．７４９＾３Ｘ＾ｖ,ｎ＝１５,Ｒ＾２＝０．９９８,ＳＥ＝０．５５９１,Ｆ＝４１４８．９９,ｐ＝０．０００．（２）     

掺杂蓝青铜的Peierls相变及非线性电输运性质

对钾钼蓝青铜０．３ＭｏＯ３及其Ｎａ离子掺杂单晶Ｋ０．３－ｘＮａｘＭｏＯ３（ｘ＝０．０２，０．０５，０．１０）系列的Ｐｅｒｉｅｒｌｓ相变及７７Ｋ非线性电输运性质进行了系统研究，发现Ｎａ离子掺杂对Ｋ０．３ＭｏＯ３单晶的Ｐｅｉｅｒｌｓ相变温度无明显变化，本认为这是由于Ｎａ离子所起的两种相反作用的结果，Ｎａ离子掺杂使样品的半导体能隙和第一阈值电场均明显增大，用钉扎理论对后给予定性解释，非线性电荷密度波     

Ba_3NaLaNb_（10）O_（30）晶体的物性研究

Ｂａ３ＮａＬａＮｂ１０Ｏ３０晶体具有四方钨青铜型结构，室温时的空间群和点群分别为Ｐ４／ｍｂｍ和４／ｍｍｍ，晶格参数ａ＝ｂ＝１２．４７１２Ａ，ｃ＝３．９３５０Ａ．介电、铁电等测量结果表明，该晶体在２８０Ｋ附近有一弥散性很强的铁电一顺电相变，其弥散性指数γ＝１．８．低温２００Ｋ时的ＸＲＤ显示它的低温相为四方相，点群为４ｍｍ点群．     

Na_(3.3)Zr_(1.65-X)Ti_XSi_(1.9)P_(1.1)O_(11.5)系统的相组成及性能

通过高温（１１７３—１４７３Ｋ）固相反应．制备了钠快离子导体ＮＡ３．３Ｚｒ１．６５－ＸＴｉＸＳｉ１．９ Ｐ１．１Ｏ１１．５系统中Ｘ＝０－１．６５的一系列合成物，研究了该系统的相变情况，探明了在ｘ＝０．５－０．９ 的组成范围内可制得ＮＡＳＩＣＯＮ单相．其中电导性最好的是Ｘ＝０．６的合成物．在６２３ｋ时它的电导 率为１８．９Ｓ·ｍ－１，在４７３—６７３Ｋ温区里其电导激活能为４１．７ＫＪ／ｍｏｌｅ．     

1673K下BaO-BaF_2-Cr_2O_3渣系的热力学性质

１６７３Ｋ下,采用－ＭｏＣｒ＋Ｃｒ２Ｏ３ＺｒＯ２（ＭｇＯ）｛Ｃｕ＋Ｃｒ｝ａｌｏｙ＋（Ｃｒ２Ｏ３）ｓｌａｇＭｏ＋固体电解质电池测定了ＢａＯＢａＦ２Ｃｒ２Ｏ３渣系中Ｃｒ２Ｏ３的活度．研究结果表明,Ｃｒ２Ｏ３的活度随其浓度升高而升高,随ＸＢａＯ／ＸＢａＦ２升高而降低．根据实验及Ｘ射线衍射结果推测了该渣系的等温相图,并作出了该渣系中Ｃｒ２Ｏ３的等活度图．     

高压下Gd“不规则”相变的研究

采用Ｍａｏ－Ｂｅｌ型金刚石对顶砧（ＤＡＣ）及高压在位（ｉｎｓｉｔｕ）粉末Ｘ光衍射照相方法研究了Ｇｄ在０～３７ＧＰａ压力区间内的压致相变和等温压缩行为．实验结果表明：Ｇｄ分别在１２．４８ＧＰａ及２５．６３ＧＰａ发生了由ｈｃｐ→Ｓｍｔｙｐｅ→ｆｃｃ两次结构相变．用Ｍｕｒｎａｇｈａｎ等温状态方程对其压缩数据进行最小二乘法拟合，得到Ｂ０＝（２３．６２±２．１５）ＧＰａ，Ｂ′０＝３．６９±０．３２．本文给出这一压致结构相变模型，初步讨论了这一“不规则”相变的成因．     

Ba3NaLaNb10O30晶体的物性研究

Ｂａ３ＮａＬａＮｂ１０Ｏ３０晶体具有四方钨青铜型结构，室温时的空间群和点群分别为Ｐ４／ｍｂｍ和４／ｍｍｍ晶格参数ａ＝ｂ＝１２，４７１２Ａ，ｃ＝３．９３５０Ａ。介电，铁电等测量结果表明，该晶体在２８０Ｋ附近有－弥散性很强的铁电一顺电相变，其弥散性指数γ＝１．８低温２００Ｋ时的ＸＲＤ显示它的低温相为四方相，点群为４ｍｍ点群。     

Na~+-K~+-Cl~--Br~-水溶液体系中活度系数的测定与计算

用离子选择性电极测定了 ＮａＣ１、 ＫＣ１、 ＫＢｒ、 ＮａＣ１－ＫＣ１、 ＫＣ１－ＫＢｒ和ＮａＣ１－ＫＢｒ水溶液中的电动势，温度为 １０、 ２５、 ３５和 ４５℃，从而求出在上述３个混合电解质溶液中 ＫＣ１、 ＮａＣ１和 ＫＢｒ的活度系数，并将自行改进的 Ｐｉｔｚｅｒ－Ｌｉ方程用于此混合电解质溶液，取得了良好的结果。     

形成多角体家蚕重组病毒通用转移载体构建

从家蚕核型多角体病毒（ＢｍＮＰＶ）通用转称载体ｐＢＫ２８３和粉纹夜蛾核型多角体病毒（ＴｎＮＰＶ）转移载体ｐＳＸＩＶＶＩ＋Ｘ３系列出发，构建了一个７．２ｋｂ能形成多角体且可以用于克隆含不同读码框外源基因的ＢｍＮＰＶ通用转移载体系列ｐＢＭＸ３．ｐＢＭＸ３系列以ＢｍＮＰＶ多角体结构基因上游的１．９ｋｂ和下游１．３ｋｂ的片段作为与ＢｍＮＰＶ基因组进行体内同源重组的同源序列；ｐＳＸＩＶＶＩ＋Ｘ３系列的ＳＸＩＶ双启动子用于外源基因的表达；ＡｃＮＰＶ的多角体基因作为重组病毒形成多角体的基因．以ＢｍＮＰＶ－ＬａｃＺ（ｏｃｃ－ｇａｌ＋）为出发株病毒，ｐＢＭＸ３系列的重组病毒筛选有ｏｃｃ＋和ｇａｌ－两个遗传标记     

Markedness and its Interpretation in Language Use

Language markedness is a common phenomenon in languages, and is reflected from hearing, vision and sense, i.e. the variation in the three aspects such as phonology, morphology and semantics. This paper focuses on the interpretation of markedness in language use following the three perspectives, i.e. pragmatic interpretation, psychological interpretation and cognitive interpretation, with an aim to define the function of markedness.     

Characterization of Ordovician carbonate reservoirs, southeastern Saskatchewan, Canada

The discovery of the prolific Ordovician Red River reservoirs in 1995 in southeastern Saskatchewan was the catalyst for extensive exploration activity which resulted in the discovery of more than 15 new Red River pools. The best yields of Red River production to date have been from dolomite reservoirs. Understanding the processes of dolomitization is, therefore, crucial for the prediction of the connectivity, spatial distribution and heterogeneity of dolomite reservoirs.The Red River reservoirs in the Midale area consist of 3～4 thin dolomitized zones, with a total thickness of about 20 m, which occur at the top of the Yeoman Formation. Two types of replacement dolomite were recognized in the Red River reservoir: dolomitized burrow infills and dolomitized host matrix. The spatial distribution of dolomite suggests that burrowing organisms played an important role in facilitating the fluid flow in the backfilled sediments. This resulted in penecontemporaneous dolomitization of burrow infills by normal seawater. The dolomite in the host matrix is interpreted as having occurred at shallow burial by evaporitic seawater during precipitation of Lake Almar anhydrite that immediately overlies the Yeoman Formation. However, the low δ18O values of dolomited burrow infills (-5.9‰～ -7.8‰, PDB) and matrix dolomites (-6.6‰～ -8.1‰, avg. -7.4‰ PDB) compared to the estimated values for the late Ordovician marine dolomite could be attributed to modification and alteration of dolomite at higher temperatures during deeper burial, which could also be responsible for its 87Sr/86Sr ratios (0.7084～0.7088) that are higher than suggested for the late Ordovician seawaters (0.7078～0.7080). The trace amounts of saddle dolomite cement in the Red River carbonates are probably related to "cannibalization" of earlier replacement dolomite during the chemical compaction.     

Features of Women's language

Language is a means of verbal communication. People use language to communicate with each other. In the society, no two speakers are exactly alike in the way of speaking. Some differences are due to age, gender, statue and personality. Above all, gender is one of the obvious reasons. The writer of this paper tries to describe the features of women＇s language from these perspectives： pronunciation, intonation, diction, subjects, grammar and discourse. From the discussion of the features of women＇s language, more attention should be paid to language use in social context. What＇s more, the linguistic phenomena in a speaking community can be understood more thoroughly.     

A computer generator for randomly layered structures

AcomputergeneratorforrandomlylayeredstructuresYUJia shun1,2,HEZhen hua2(1.TheInstituteofGeologicalandNuclearSciences,NewZealand;2.StateKeyLaboratoryofOilandGasReservoirGeologyandExploitation,ChengduUniversityofTechnology,China)Abstract:Analgorithmisintrod…     

低渗透非均质砂岩油藏启动压力梯度研究

理论推导与室内实验相结合,建立了低渗透非均质砂岩油藏启动压力梯度确定方法。首先借助油藏流场与电场相似的原理,推导了非均质砂岩油藏启动压力梯度计算公式。其次基于稳定流实验方法,建立了非均质砂岩油藏启动压力梯度测试方法。结果表明:低渗透非均质砂岩油藏的启动压力梯度确定遵循两个等效原则。平面非均质油藏的启动压力梯度等于各级渗透率段的启动压力梯度关于长度的加权平均;纵向非均质油藏的启动压力梯度等于各渗透率层的启动压力梯度关于渗透率与渗流面积乘积的加权平均。研究成果可用于有效指导低渗透非均质砂岩油藏的合理井距确定,促进该类油藏的高效开发。     

On Tragic Consciousness In The Works By Ernest Hemingway

As an American modern novelist who were famous in the literary world, Hemingway was not a person who always followed the trend but a sharp observer. At the same time, he was a tragedy maestro, he paid great attention on existence, fate and end-result. The dramatis personae's tragedy of his works was an extreme limit by all means tragedy on the meaning of fearless challenge that failed. The beauty of tragedy was not produced on the destruction of life, but now this kind of value was in the impact activity. They performed for the reader about the tragedy on challenging for the limit and the death.     

海南岛地体及其毗邻陆缘晚中生代—新生代古地磁研究和构造演化

本文叙述了对海南岛及其毗邻大陆边缘白垩纪到第四纪地层岩石进行古地磁研究的全部工作过程。通过分析岩石中剩余磁矢量的磁偏角及磁倾角的变化,提出海南岛白垩纪以来经历的构造演化模式如下:早期伴随顺时针旋转而向南迁移,后期伴随逆时针转动并向北运移。联系该地区及邻区的地质、地球物理资料,对海南岛上述的构造地体运动提出以下认识:北部湾内早期有一拉张作用,主要是该作用使湾内地壳显著伸长减薄,形成北部湾盆地。从而导致了海南岛的早期构造运动,而海南岛后期的构造运动则主要是受南海海底扩张的影响。海南地体运动规律的阐明对于了解北部湾油气盆地的形成演化有重要的理论和实际意义。     

An Index mechanism for multi-scale view in spatial databases

There are numerous geometric objects stored in the spatial databases. An importance function in a spatial database is that users can browse the geometric objects as a map efficiently. Thus the spatial database should display the geometric objects users concern about swiftly onto the display window. This process includes two operations:retrieve data from database and then draw them onto screen. Accordingly, to improve the efficiency, we should try to reduce time of both retrieving object and displaying them. The former can be achieved with the aid of spatial index such as R-tree, the latter require to simplify the objects. Simplification means that objects are shown with sufficient but not with unnecessary detail which depend on the scale of browse. So the major problem is how to retrieve data at different detail level efficiently. This paper introduces the implementation of a multi-scale index in the spatial database SISP (Spatial Information Shared Platform) which is generalized from R-tree. The difference between the generalization and the R-tree lies on two facets: One is that every node and geometric object in the generalization is assigned with a importance value which denote the importance of them, and every vertex in the objects are assigned with a importance value,too. The importance value can be use to decide which data should be retrieve from disk in a query. The other difference is that geometric objects in the generalization are divided into one or more sub-blocks, and vertexes are total ordered by their importance value. With the help of the generalized R-tree, one can easily retrieve data at different detail levels.Some experiments are performed on real-life data to evaluate the performance of solutions that separately use normal spatial index and multi-scale spatial index. The results show that the solution using multi-scale index in SISP is satisfying.     

《Chinese Science Bulletin》SUBJECT INDEX TO VOLUME 59(2014)

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Achieving Unusual States of Matter Under High Pressure

The elongation method,originally proposed by Imamura was further developed for many years in our group.As a method towards O(N)with high efficiency and high accuracy for any dimensional systems.This treatment designed for one-dimensional(ID)polymers is now available for three-dimensional(3D)systems,but geometry optimization is now possible only for 1D-systems.As an approach toward post-Hartree-Fock,it was also extended to